Convallatoxin
Properties
| Property | Value |
|---|---|
| Formula | C29H42O10 |
| IUPAC Name | (3s,5s,8r,9s,10s,13r,14s,17r)-5,14-dihydroxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde |
| Molecular Mass | 550.638 g·mol−1 |
| Heat of Formation | 1424.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.15 ± 1.08 D |
| Volume | 472.26 Å 3 |
| Surface Area | 386.98 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -3.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HULMNSIAKWANQO-MIXAURORSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O |